• Formula : K2SnSe3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.624
    b = 7.606
    c = 6.952
    α = 67.6
    β = 74.3
    γ = 75.7
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 100
  • Band gap = 1.7684 eV
    Direct Gap = 1.768 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 300234

Band structure with spin-orbit coupling